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4-keto-2-(methylthio)-6-phenyl-5,6-dihydrothiopyran-3-carbaldehyde
SpectraBase Compound ID HxShMejndE6
InChI InChI=1S/C13H12O2S2/c1-16-13-10(8-14)11(15)7-12(17-13)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
InChIKey MCQDEGZOIKKHOL-UHFFFAOYSA-N
Mol Weight 264.36 g/mol
Molecular Formula C13H12O2S2
Exact Mass 264.027872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPilzFXPJb
Name 4-keto-2-(methylthio)-6-phenyl-5,6-dihydrothiopyran-3-carbaldehyde
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12O2S2
InChI InChI=1S/C13H12O2S2/c1-16-13-10(8-14)11(15)7-12(17-13)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
InChIKey MCQDEGZOIKKHOL-UHFFFAOYSA-N
Literature Reference Author E.KLEINPETER,M.HEYDENREICH,S.K.CHATTERJEE,W.D.RUDORF
Literature Reference Citation MAGN.RES.CHEM.,32,473(1994)
Literature Reference DOI 10.1002/mrc.1260320808
Molecular Weight 264.357 g/mol
Solvent CDCl3
Source File Reference UWCP2038